2-PENTANONE, 4-CYCLOHEXYL-4-METHYL-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H22O
Molecular Weight	182.3025
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-PENTANONE, 4-CYCLOHEXYL-4-METHYL-

Structure Search

SMILES

CC(=O)CC(C)(C)C1CCCCC1

InChI

InChIKey=OAFJAALOFJVHMK-UHFFFAOYSA-N

InChI=1S/C12H22O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h11H,4-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C12H22O
Molecular Weight	182.3025
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:09:17 GMT 2025` Edited by `admin` on `Mon Mar 31 21:09:17 GMT 2025`
Record UNII	D21000AYE2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-PENTANONE, 4-CYCLOHEXYL-4-METHYL-

Systematic Name

English

NSC-240005

Preferred Name

English

4-CYCLOHEXYL-4-METHYL-2-PENTANONE

Systematic Name

English

4-CYCLOHEXYL-4-METHYL-PENTAN-2-ONE

Systematic Name

English

VETIVAL

Common Name

English

Code System Code Type Description

CAS

4927-39-3

Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025

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ECHA (EC/EINECS)

225-562-6

Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025

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FDA UNII

D21000AYE2

Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025

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NSC

240005

Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025

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PUBCHEM

78640

Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025

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EPA CompTox

DTXSID8047682

Created by admin on Mon Mar 31 21:09:17 GMT 2025 , Edited by admin on Mon Mar 31 21:09:17 GMT 2025

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